Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity

1 code implementation • 21 Jul 2021 • Shuangli Li, Jingbo Zhou, Tong Xu, Liang Huang, Fan Wang, Haoyi Xiong, Weili Huang, Dejing Dou, Hui Xiong

To this end, we propose a structure-aware interactive graph neural network (SIGN) which consists of two components: polar-inspired graph attention layers (PGAL) and pairwise interactive pooling (PiPool).

Drug Discovery Graph Attention +2